==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 29-JUN-12 4FW6 . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR Y.N.KANG,J.A.STUCKEY . 1204 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 794 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 228 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 77 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 6 0 0 0 0 8 4 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 2 2 16 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 10 2 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A A 0 0 110 0, 0.0 289,-2.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 128.0 21.9 -7.8 11.3 2 1 A M - 0 0 63 287,-0.2 2,-0.9 288,-0.1 286,-0.2 -0.507 360.0-116.0 -74.8 140.5 19.0 -6.9 13.6 3 2 A I - 0 0 21 284,-2.9 124,-3.0 -2,-0.2 284,-0.4 -0.713 48.0-159.7 -78.2 111.3 18.8 -3.5 15.2 4 3 A K E -A 126 0A 53 -2,-0.9 122,-0.2 122,-0.3 120,-0.1 -0.590 19.2-100.4 -95.1 157.4 19.0 -4.6 18.8 5 4 A Q E - 0 0 6 120,-2.4 118,-3.2 -2,-0.2 2,-0.4 -0.366 42.3-143.0 -67.2 150.5 18.0 -3.1 22.2 6 5 A R E +A 122 0A 11 82,-0.3 85,-2.2 116,-0.2 84,-1.6 -0.955 24.8 166.2-123.9 146.1 21.0 -1.6 24.1 7 6 A T E -A 121 0A 7 114,-2.2 114,-2.9 -2,-0.4 2,-0.2 -0.727 47.0 -72.9-135.1-176.6 22.0 -1.4 27.7 8 7 A L E -A 120 0A 2 83,-0.4 112,-0.3 112,-0.2 24,-0.1 -0.573 26.7-146.7 -79.9 148.6 25.2 -0.4 29.6 9 8 A K S S+ 0 0 125 110,-2.8 2,-0.3 -2,-0.2 111,-0.1 0.820 82.2 12.2 -79.9 -36.0 28.1 -2.9 29.5 10 9 A N S S- 0 0 85 109,-0.5 -1,-0.2 20,-0.0 2,-0.1 -0.952 85.1 -95.8-138.8 161.2 29.2 -1.9 33.1 11 10 A I - 0 0 82 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.470 42.6-170.7 -72.2 143.2 28.0 0.1 36.1 12 11 A I E -B 29 0B 35 17,-2.0 17,-2.9 -2,-0.1 2,-0.3 -0.989 6.2-153.4-140.8 149.0 29.3 3.7 36.1 13 12 A R E -B 28 0B 115 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.918 10.2-178.9-123.9 150.0 29.1 6.4 38.8 14 13 A A E -B 27 0B 11 13,-2.3 13,-3.0 -2,-0.3 2,-0.4 -0.971 12.7-150.2-141.7 152.9 29.1 10.1 38.9 15 14 A T E +B 26 0B 80 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.976 35.0 123.8-123.3 143.7 28.9 12.8 41.6 16 15 A G E -B 25 0B 15 9,-2.4 9,-2.7 -2,-0.4 2,-0.3 -0.873 48.8 -89.8-168.8-161.1 27.4 16.2 41.3 17 16 A V E -B 24 0B 55 -2,-0.3 86,-2.8 7,-0.3 87,-0.3 -0.974 36.3-108.0-134.5 146.1 24.9 18.8 42.6 18 17 A G B > -F 102 0C 0 5,-2.1 4,-1.9 -2,-0.3 191,-0.1 -0.559 22.4-140.3 -73.7 131.9 21.3 19.4 41.7 19 18 A L T 4 S+ 0 0 20 82,-0.5 190,-2.7 -2,-0.3 191,-0.8 0.905 100.1 27.3 -56.3 -46.3 20.9 22.7 39.7 20 19 A H T 4 S+ 0 0 22 187,-0.2 188,-1.8 188,-0.2 -1,-0.1 0.903 128.5 39.1 -90.1 -41.8 17.7 23.6 41.6 21 20 A S T 4 S- 0 0 31 186,-0.1 -2,-0.2 187,-0.1 -1,-0.1 0.739 86.8-142.8 -77.1 -27.6 18.1 21.9 45.0 22 21 A G < + 0 0 31 -4,-1.9 2,-0.3 1,-0.3 -3,-0.1 0.575 52.2 145.6 73.2 8.8 21.9 22.6 45.4 23 22 A E - 0 0 99 1,-0.1 -5,-2.1 -6,-0.0 -1,-0.3 -0.617 55.5-117.0 -86.0 137.2 22.0 19.1 47.0 24 23 A K E -B 17 0B 87 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.3 -0.441 40.9-173.9 -67.0 139.3 25.0 16.8 46.5 25 24 A V E -B 16 0B 0 -9,-2.7 -9,-2.4 -2,-0.1 2,-0.5 -1.000 24.2-144.1-144.1 141.1 23.9 13.7 44.7 26 25 A Y E -B 15 0B 70 -2,-0.3 71,-1.5 -11,-0.2 2,-0.4 -0.914 20.4-161.1-102.4 127.6 25.5 10.3 43.7 27 26 A L E -BC 14 96B 1 -13,-3.0 -13,-2.3 -2,-0.5 2,-0.4 -0.925 7.9-174.4-112.8 131.6 24.4 8.9 40.3 28 27 A T E -BC 13 95B 15 67,-2.4 67,-3.6 -2,-0.4 2,-0.5 -0.997 8.2-160.8-127.6 127.8 24.7 5.3 39.4 29 28 A L E -BC 12 94B 1 -17,-2.9 -17,-2.0 -2,-0.4 65,-0.2 -0.924 18.9-177.8-105.8 125.9 23.9 4.0 35.8 30 29 A K E - C 0 93B 65 63,-2.7 63,-2.5 -2,-0.5 -22,-0.1 -0.971 30.9-101.0-125.2 149.5 23.3 0.2 35.7 31 30 A P - 0 0 49 0, 0.0 61,-0.2 0, 0.0 -22,-0.1 -0.216 40.7-164.6 -58.1 153.4 22.5 -2.3 33.0 32 31 A A - 0 0 7 59,-0.5 59,-0.2 -24,-0.1 3,-0.1 -0.979 22.0 -94.7-141.9 153.3 18.9 -3.4 32.8 33 32 A P > - 0 0 76 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.120 57.6 -72.9 -66.2 164.2 17.0 -6.3 31.1 34 33 A V T 3 S+ 0 0 48 1,-0.2 -27,-0.0 2,-0.1 90,-0.0 -0.210 118.8 16.1 -50.5 142.9 15.4 -6.1 27.7 35 34 A D T 3 S+ 0 0 97 -3,-0.1 -1,-0.2 1,-0.1 56,-0.0 0.599 89.8 113.9 62.3 21.5 12.1 -4.0 27.7 36 35 A T < - 0 0 38 -3,-1.6 -2,-0.1 1,-0.1 55,-0.1 0.853 58.5-162.9 -80.5 -38.2 12.8 -2.3 31.1 37 36 A G - 0 0 18 -4,-0.3 55,-2.1 -5,-0.1 2,-0.5 -0.365 47.2 -37.1 80.1-166.2 13.2 1.2 29.5 38 37 A I E -d 92 0B 11 15,-0.3 15,-3.4 53,-0.2 2,-0.5 -0.822 68.3-172.6 -91.1 123.5 15.0 3.9 31.5 39 38 A V E -dE 93 52B 8 53,-2.7 55,-3.1 -2,-0.5 2,-0.3 -0.979 12.7-149.6-124.3 120.6 14.0 3.5 35.2 40 39 A F E -dE 94 51B 0 11,-2.7 11,-3.5 -2,-0.5 2,-0.4 -0.643 13.9-162.7 -85.4 143.9 15.0 6.1 37.9 41 40 A S E -dE 95 50B 2 53,-2.8 55,-2.9 -2,-0.3 2,-1.2 -0.989 17.6-147.6-134.8 122.3 15.5 4.8 41.4 42 41 A R E > +dE 96 49B 26 7,-2.8 7,-1.1 -2,-0.4 3,-1.0 -0.764 22.6 175.5 -86.6 93.5 15.6 6.8 44.7 43 42 A T T 3 S+ 0 0 58 53,-2.0 54,-0.2 -2,-1.2 -1,-0.2 0.552 70.2 71.0 -81.9 -5.6 18.1 4.7 46.6 44 43 A D T 3 S+ 0 0 59 52,-0.7 2,-0.3 -3,-0.1 -1,-0.2 0.547 90.6 80.8 -80.6 -10.7 18.2 7.1 49.6 45 44 A L S < S- 0 0 54 -3,-1.0 4,-0.0 4,-0.1 53,-0.0 -0.695 83.6-116.0-100.8 151.9 14.6 5.9 50.4 46 45 A D S S+ 0 0 140 -2,-0.3 2,-0.2 2,-0.1 -3,-0.1 -0.963 108.1 29.0-130.5 110.0 13.5 2.8 52.3 47 46 A P S S- 0 0 104 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.575 111.0-113.3 -68.3 164.5 11.9 1.0 50.4 48 47 A V - 0 0 79 -2,-0.2 2,-0.5 -5,-0.1 -5,-0.2 -0.484 28.4-140.3 -66.1 133.0 13.7 2.0 47.2 49 48 A V E -E 42 0B 30 -7,-1.1 -7,-2.8 -2,-0.2 2,-0.4 -0.900 13.1-158.9-104.4 123.7 11.2 3.9 44.9 50 49 A E E -E 41 0B 92 -2,-0.5 -9,-0.2 -9,-0.2 45,-0.0 -0.856 8.0-174.2-100.7 134.7 11.5 3.1 41.2 51 50 A I E -E 40 0B 1 -11,-3.5 -11,-2.7 -2,-0.4 18,-0.1 -0.919 19.5-138.3-130.5 107.1 10.1 5.6 38.6 52 51 A P E -E 39 0B 45 0, 0.0 2,-2.2 0, 0.0 -13,-0.3 -0.356 25.7-116.9 -62.0 140.4 10.1 4.6 35.0 53 52 A A + 0 0 5 -15,-3.4 2,-0.3 14,-0.1 -15,-0.3 -0.531 68.8 135.1 -80.7 73.9 11.1 7.5 32.7 54 53 A R > - 0 0 105 -2,-2.2 3,-2.4 196,-0.1 4,-0.2 -0.932 69.5-114.8-127.0 150.4 7.7 7.6 30.9 55 54 A A G > S+ 0 0 4 194,-2.2 3,-1.8 -2,-0.3 195,-0.1 0.843 113.9 62.3 -50.9 -38.8 5.3 10.5 30.0 56 55 A E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 193,-0.2 -3,-0.1 0.674 101.8 51.3 -63.4 -19.9 2.7 9.1 32.4 57 56 A N G < S+ 0 0 37 -3,-2.4 11,-2.9 -5,-0.2 -1,-0.3 0.354 79.4 124.4-102.8 11.0 5.1 9.7 35.4 58 57 A V B < +G 67 0D 15 -3,-1.8 9,-0.3 -4,-0.2 3,-0.1 -0.496 33.5 174.3 -75.2 129.1 5.8 13.3 34.5 59 58 A G + 0 0 27 7,-3.3 7,-0.1 1,-0.4 -1,-0.1 0.269 52.6 3.6 -99.9-130.4 5.1 15.7 37.4 60 59 A E + 0 0 130 1,-0.1 6,-1.1 5,-0.1 -1,-0.4 -0.235 51.9 178.4 -60.8 139.1 5.9 19.4 37.5 61 60 A T + 0 0 26 4,-0.2 205,-0.6 -3,-0.1 206,-0.1 -0.007 45.0 113.1-133.0 29.4 7.4 20.9 34.3 62 61 A T S S- 0 0 95 203,-0.1 3,-0.1 204,-0.1 204,-0.1 0.772 99.8 -1.6 -74.6 -31.5 7.7 24.6 35.3 63 62 A M S S- 0 0 80 1,-0.6 2,-0.3 -3,-0.0 202,-0.1 0.577 136.0 -0.0-126.1 -46.3 11.6 24.7 35.3 64 63 A S S S- 0 0 9 -4,-0.1 -1,-0.6 200,-0.1 2,-0.5 -0.840 86.2 -83.3-141.3 171.6 12.8 21.2 34.5 65 64 A T - 0 0 2 -2,-0.3 12,-2.0 -3,-0.1 11,-0.7 -0.794 48.7-168.2 -85.4 129.3 11.2 17.9 33.7 66 65 A T E - H 0 75D 2 -6,-1.1 -7,-3.3 -2,-0.5 2,-0.3 -0.948 13.7-149.2-121.5 141.8 10.3 16.0 36.9 67 66 A L E -GH 58 74D 0 7,-2.7 7,-2.4 -2,-0.4 2,-0.3 -0.836 19.0-168.4-104.6 143.3 9.2 12.4 37.4 68 67 A V E + H 0 73D 38 -11,-2.9 2,-0.3 -2,-0.3 5,-0.2 -0.994 19.8 176.5-137.5 143.0 6.8 11.6 40.3 69 68 A K E > S- H 0 72D 113 3,-2.3 3,-2.0 -2,-0.3 2,-0.4 -0.898 79.1 -38.1-143.1 106.7 5.5 8.4 42.0 70 69 A G T 3 S- 0 0 66 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.634 124.6 -35.0 74.9-119.7 3.2 9.0 44.9 71 70 A D T 3 S+ 0 0 160 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.107 114.6 112.0-118.0 19.9 4.9 12.1 46.5 72 71 A V E < -H 69 0D 30 -3,-2.0 -3,-2.3 2,-0.0 2,-0.3 -0.836 51.5-163.9 -93.9 129.7 8.5 10.9 45.5 73 72 A K E -H 68 0D 109 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.822 25.2-163.9-119.0 153.2 10.1 13.0 42.9 74 73 A V E -H 67 0D 0 -7,-2.4 -7,-2.7 -2,-0.3 3,-0.3 -0.962 28.7-156.1-128.7 109.1 13.1 12.8 40.5 75 74 A D E +Hi 66 100D 37 24,-3.3 26,-2.4 -2,-0.4 -9,-0.2 -0.660 57.8 11.9 -93.4 153.0 13.9 16.3 39.3 76 75 A T + 0 0 6 -11,-0.7 4,-0.3 -2,-0.3 3,-0.3 0.949 64.7 154.8 57.0 61.5 15.7 17.6 36.1 77 76 A V > + 0 0 0 -12,-2.0 4,-2.6 -3,-0.3 5,-0.2 0.598 45.7 89.7 -87.7 -16.7 15.8 14.3 34.1 78 77 A E H > S+ 0 0 6 -13,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.784 84.1 47.4 -60.1 -40.0 16.0 15.9 30.6 79 78 A H H > S+ 0 0 7 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.923 115.9 45.1 -71.9 -38.4 19.8 16.3 30.1 80 79 A L H > S+ 0 0 0 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.914 114.7 48.5 -66.1 -43.3 20.5 12.7 31.3 81 80 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.851 106.5 57.3 -65.9 -33.1 17.6 11.4 29.1 82 81 A S H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.918 107.5 48.0 -62.5 -39.5 18.9 13.4 26.2 83 82 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.900 111.3 50.8 -66.0 -41.2 22.3 11.5 26.5 84 83 A M H <>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 4,-0.4 0.925 114.3 43.3 -59.6 -50.6 20.4 8.1 26.7 85 84 A A H ><5S+ 0 0 15 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.929 111.5 54.9 -62.1 -46.2 18.4 8.9 23.6 86 85 A G H 3<5S+ 0 0 22 -4,-2.7 96,-0.2 1,-0.3 -1,-0.2 0.790 114.4 39.4 -57.4 -36.6 21.4 10.3 21.8 87 86 A L T 3<5S- 0 0 3 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.343 113.4-116.1 -99.0 4.4 23.4 7.0 22.4 88 87 A G T < 5 + 0 0 0 -3,-1.2 2,-0.7 -4,-0.4 -82,-0.3 0.824 50.8 168.5 66.2 36.3 20.4 4.7 21.7 89 88 A I < + 0 0 0 -5,-2.7 -1,-0.2 1,-0.2 -82,-0.2 -0.720 9.9 174.8 -82.3 116.3 20.2 3.3 25.3 90 89 A D + 0 0 7 -84,-1.6 2,-0.4 -2,-0.7 -83,-0.2 0.923 63.0 34.0 -84.3 -47.4 17.0 1.4 25.6 91 90 A N + 0 0 2 -85,-2.2 -59,-0.5 -59,-0.2 -83,-0.4 -0.941 67.8 130.2-123.2 130.4 17.3 -0.1 29.1 92 91 A A E - d 0 38B 0 -55,-2.1 -53,-2.7 -2,-0.4 2,-0.5 -0.927 44.0-127.7-171.5 148.5 19.0 1.2 32.2 93 92 A Y E -Cd 30 39B 59 -63,-2.5 -63,-2.7 -2,-0.3 2,-0.6 -0.908 20.7-161.5-100.7 128.6 18.6 1.8 35.9 94 93 A V E -Cd 29 40B 0 -55,-3.1 -53,-2.8 -2,-0.5 2,-0.4 -0.942 10.1-164.2-110.2 103.8 19.5 5.3 37.0 95 94 A E E -Cd 28 41B 33 -67,-3.6 -67,-2.4 -2,-0.6 2,-0.4 -0.781 6.7-174.4 -94.0 139.2 20.1 5.3 40.8 96 95 A L E -Cd 27 42B 0 -55,-2.9 -53,-2.0 -2,-0.4 -52,-0.7 -0.992 26.3-156.3-131.3 139.2 20.1 8.6 42.7 97 96 A S S S+ 0 0 37 -71,-1.5 2,-0.3 -2,-0.4 -70,-0.1 0.321 86.3 31.5 -89.8 1.8 20.9 9.3 46.3 98 97 A A S S- 0 0 7 -72,-0.2 -55,-0.1 2,-0.1 -73,-0.1 -0.931 92.8 -97.3-152.2 169.3 18.8 12.5 46.2 99 98 A S S S+ 0 0 26 -2,-0.3 -24,-3.3 -25,-0.1 2,-0.4 0.734 99.5 62.1 -68.8 -21.5 15.7 13.9 44.4 100 99 A E B S-i 75 0D 1 -26,-0.2 -24,-0.2 -76,-0.1 -3,-0.1 -0.901 80.3-123.3-118.7 134.7 17.6 15.8 41.6 101 100 A V - 0 0 3 -26,-2.4 -82,-0.5 -2,-0.4 -84,-0.1 -0.395 47.0 -96.7 -59.1 138.0 19.9 14.5 38.8 102 101 A P B -F 18 0C 3 0, 0.0 -84,-0.2 0, 0.0 -1,-0.1 -0.346 23.1-141.6 -64.0 143.9 23.3 16.2 39.0 103 102 A I > - 0 0 3 -86,-2.8 3,-2.6 1,-0.2 4,-0.2 0.702 29.3-178.3 -76.8 -22.1 23.6 19.2 36.6 104 103 A M T 3 S- 0 0 51 -87,-0.3 -1,-0.2 1,-0.3 -87,-0.1 -0.380 73.5 -20.5 57.2-125.2 27.3 18.3 35.8 105 104 A D T 3 S- 0 0 32 2,-0.2 -1,-0.3 -2,-0.0 3,-0.1 0.271 98.9 -99.5 -96.9 15.0 28.5 21.1 33.4 106 105 A G S < S+ 0 0 0 -3,-2.6 85,-1.7 1,-0.3 2,-0.2 0.339 99.1 81.9 84.4 -0.4 24.9 22.0 32.4 107 106 A S S S- 0 0 0 83,-0.2 -1,-0.3 -4,-0.2 4,-0.2 -0.466 90.3-108.7-117.3-170.2 25.1 19.9 29.2 108 107 A A S > S+ 0 0 0 79,-2.4 4,-2.7 78,-0.2 5,-0.2 0.410 92.5 97.5 -97.8 0.0 24.7 16.2 28.2 109 108 A G H > S+ 0 0 18 78,-1.0 4,-2.9 1,-0.2 5,-0.2 0.937 80.9 46.2 -56.9 -53.3 28.5 16.0 27.5 110 109 A P H > S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.893 115.5 49.0 -62.3 -33.3 29.6 14.4 30.8 111 110 A F H > S+ 0 0 1 -4,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.924 110.7 48.1 -70.8 -42.0 26.8 11.9 30.6 112 111 A V H X S+ 0 0 7 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.924 114.4 48.1 -64.2 -38.3 27.5 10.9 27.0 113 112 A F H X S+ 0 0 144 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.918 112.1 48.2 -66.8 -45.0 31.2 10.5 28.0 114 113 A L H X S+ 0 0 28 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.913 113.4 47.8 -61.5 -41.3 30.3 8.4 31.2 115 114 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.937 114.7 44.5 -65.0 -47.2 28.0 6.1 29.2 116 115 A Q H < S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 109.0 58.2 -69.1 -29.7 30.5 5.6 26.4 117 116 A S H < S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.905 110.4 42.7 -62.6 -44.3 33.3 5.0 29.0 118 117 A A H < S- 0 0 9 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.804 114.0-136.4 -69.2 -33.5 31.3 2.1 30.5 119 118 A G < - 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